2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid

C17H22N4O3 — CID 167909633

IUPAC2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid
SMILESCCCc1cc(NC(=O)N(CC(=O)O)Cc2ccccc2)n(C)n1
InChIInChI=1S/C17H22N4O3/c1-3-7-14-10-15(20(2)19-14)18-17(24)21(12-16(22)23)11-13-8-5-4-6-9-13/h4-6,8-10H,3,7,11-12H2,1-2H3,(H,18,24)(H,22,23)
InChIKeyXFBHUGCSPWCCHX-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.49
Rot. Bonds7

About 2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid

2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid (PubChem CID 167909633) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid
PubChem CID167909633
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid
SMILESCCCc1cc(NC(=O)N(CC(=O)O)Cc2ccccc2)n(C)n1
InChIInChI=1S/C17H22N4O3/c1-3-7-14-10-15(20(2)19-14)18-17(24)21(12-16(22)23)11-13-8-5-4-6-9-13/h4-6,8-10H,3,7,11-12H2,1-2H3,(H,18,24)(H,22,23)
InChIKeyXFBHUGCSPWCCHX-UHFFFAOYSA-N
XLogP2.49
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122088653
(1-methyl-3-propylpyrazol-5-yl)urea
CID 130778456
1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813385
N,1-dimethyl-3-(2-phenylethyl)pyrazol-5-amine
CID 144735657
2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid
CID 61203959
2-[benzyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 75513335
2-[benzyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 97233814
1-benzyl-3-phenyl-1-propylurea
CID 78786424
2-[benzyl-(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]acetic acid
CID 100635915
1-benzyl-1-[(4-butylphenyl)methyl]-3-(2,4,5-trimethylphenyl)urea
CID 15137604
2-[benzyl(ethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42740988
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid (CID 167909633) is 2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid is CCCc1cc(NC(=O)N(CC(=O)O)Cc2ccccc2)n(C)n1.
What is the InChIKey of 2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid?
The InChIKey is XFBHUGCSPWCCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-7-14-10-15(20(2)19-14)18-17(24)21(12-16(22)23)11-13-8-5-4-6-9-13/h4-6,8-10H,3,7,11-12H2,1-2H3,(H,18,24)(H,22,23).
What are the key properties of 2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid?
2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid has a molecular weight of 330.39 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 167909633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).